USER MOD reduce.3.24.130724 H: found=0, std=0, add=358, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 354 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 19 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0124) USER MOD Set 1.2: A 43 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 18 TYR OH : rot 34:sc= 1.28 USER MOD Set 2.2: A 47 HIS : no HE2:sc= 0.671 K(o=2,f=-3.4!) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 170:sc= -2.93 (180deg=-3.1!) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.155 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.182 X(o=-0.18,f=0) USER MOD Single : A 20 SER OG : rot -51:sc= 0.608 USER MOD Single : A 21 ASN : amide:sc= -0.0464 X(o=-0.046,f=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= -0.629 K(o=-0.63,f=-2!) USER MOD Single : A 40 ASN : amide:sc= -0.517 K(o=-0.52,f=-6.4!) USER MOD Single : A 44 THR OG1 : rot 70:sc= 1.25 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 51 LYS NZ :NH3+ 164:sc= -0.0265 (180deg=-0.249) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 3.787 2.562 -5.233 1.00 0.00 N ATOM 2 CA SER A 1 4.034 2.043 -6.574 1.00 0.00 C ATOM 3 C SER A 1 4.730 0.687 -6.511 1.00 0.00 C ATOM 4 O SER A 1 5.805 0.555 -5.927 1.00 0.00 O ATOM 5 CB SER A 1 4.886 3.029 -7.376 1.00 0.00 C ATOM 6 OG SER A 1 4.602 2.937 -8.761 1.00 0.00 O ATOM 0 H1 SER A 1 3.313 3.485 -5.300 1.00 0.00 H new ATOM 0 H2 SER A 1 3.181 1.898 -4.710 1.00 0.00 H new ATOM 0 H3 SER A 1 4.691 2.673 -4.732 1.00 0.00 H new ATOM 0 HA SER A 1 3.072 1.916 -7.071 1.00 0.00 H new ATOM 0 HB2 SER A 1 4.696 4.045 -7.029 1.00 0.00 H new ATOM 0 HB3 SER A 1 5.943 2.826 -7.204 1.00 0.00 H new ATOM 0 HG SER A 1 5.157 3.578 -9.252 1.00 0.00 H new ATOM 12 N GLU A 2 4.108 -0.319 -7.119 1.00 0.00 N ATOM 13 CA GLU A 2 4.666 -1.666 -7.131 1.00 0.00 C ATOM 14 C GLU A 2 4.083 -2.485 -8.279 1.00 0.00 C ATOM 15 O GLU A 2 3.004 -2.197 -8.796 1.00 0.00 O ATOM 16 CB GLU A 2 4.393 -2.367 -5.799 1.00 0.00 C ATOM 17 CG GLU A 2 2.994 -2.123 -5.258 1.00 0.00 C ATOM 18 CD GLU A 2 2.556 -3.187 -4.271 1.00 0.00 C ATOM 19 OE1 GLU A 2 2.121 -4.269 -4.719 1.00 0.00 O ATOM 20 OE2 GLU A 2 2.649 -2.939 -3.051 1.00 0.00 O ATOM 0 H GLU A 2 3.218 -0.226 -7.609 1.00 0.00 H new ATOM 0 HA GLU A 2 5.743 -1.585 -7.276 1.00 0.00 H new ATOM 0 HB2 GLU A 2 4.543 -3.439 -5.925 1.00 0.00 H new ATOM 0 HB3 GLU A 2 5.122 -2.028 -5.063 1.00 0.00 H new ATOM 0 HG2 GLU A 2 2.961 -1.147 -4.773 1.00 0.00 H new ATOM 0 HG3 GLU A 2 2.288 -2.090 -6.088 1.00 0.00 H new ATOM 27 N PRO A 3 4.815 -3.533 -8.689 1.00 0.00 N ATOM 28 CA PRO A 3 4.391 -4.416 -9.779 1.00 0.00 C ATOM 29 C PRO A 3 3.194 -5.278 -9.394 1.00 0.00 C ATOM 30 O PRO A 3 2.612 -5.107 -8.323 1.00 0.00 O ATOM 31 CB PRO A 3 5.623 -5.291 -10.026 1.00 0.00 C ATOM 32 CG PRO A 3 6.356 -5.287 -8.728 1.00 0.00 C ATOM 33 CD PRO A 3 6.112 -3.935 -8.119 1.00 0.00 C ATOM 0 HA PRO A 3 4.067 -3.855 -10.656 1.00 0.00 H new ATOM 0 HB2 PRO A 3 5.339 -6.302 -10.317 1.00 0.00 H new ATOM 0 HB3 PRO A 3 6.239 -4.889 -10.830 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.995 -6.081 -8.074 1.00 0.00 H new ATOM 0 HG3 PRO A 3 7.421 -5.460 -8.881 1.00 0.00 H new ATOM 0 HD2 PRO A 3 6.074 -3.985 -7.031 1.00 0.00 H new ATOM 0 HD3 PRO A 3 6.901 -3.229 -8.378 1.00 0.00 H new ATOM 41 N ASP A 4 2.831 -6.205 -10.274 1.00 0.00 N ATOM 42 CA ASP A 4 1.702 -7.095 -10.027 1.00 0.00 C ATOM 43 C ASP A 4 2.134 -8.556 -10.108 1.00 0.00 C ATOM 44 O ASP A 4 1.364 -9.416 -10.534 1.00 0.00 O ATOM 45 CB ASP A 4 0.582 -6.824 -11.032 1.00 0.00 C ATOM 46 CG ASP A 4 0.013 -5.424 -10.902 1.00 0.00 C ATOM 47 OD1 ASP A 4 -0.622 -5.135 -9.866 1.00 0.00 O ATOM 48 OD2 ASP A 4 0.204 -4.618 -11.836 1.00 0.00 O ATOM 0 H ASP A 4 3.302 -6.360 -11.165 1.00 0.00 H new ATOM 0 HA ASP A 4 1.331 -6.900 -9.021 1.00 0.00 H new ATOM 0 HB2 ASP A 4 0.963 -6.966 -12.043 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -0.216 -7.552 -10.887 1.00 0.00 H new ATOM 53 N GLU A 5 3.369 -8.826 -9.698 1.00 0.00 N ATOM 54 CA GLU A 5 3.903 -10.183 -9.727 1.00 0.00 C ATOM 55 C GLU A 5 3.185 -11.072 -8.715 1.00 0.00 C ATOM 56 O GLU A 5 2.917 -12.243 -8.982 1.00 0.00 O ATOM 57 CB GLU A 5 5.405 -10.171 -9.437 1.00 0.00 C ATOM 58 CG GLU A 5 5.761 -9.549 -8.097 1.00 0.00 C ATOM 59 CD GLU A 5 7.256 -9.378 -7.913 1.00 0.00 C ATOM 60 OE1 GLU A 5 7.998 -9.538 -8.905 1.00 0.00 O ATOM 61 OE2 GLU A 5 7.685 -9.086 -6.777 1.00 0.00 O ATOM 0 H GLU A 5 4.018 -8.124 -9.342 1.00 0.00 H new ATOM 0 HA GLU A 5 3.737 -10.590 -10.724 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.780 -11.194 -9.464 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.915 -9.623 -10.229 1.00 0.00 H new ATOM 0 HG2 GLU A 5 5.274 -8.577 -8.011 1.00 0.00 H new ATOM 0 HG3 GLU A 5 5.369 -10.174 -7.295 1.00 0.00 H new ATOM 68 N ILE A 6 2.879 -10.506 -7.552 1.00 0.00 N ATOM 69 CA ILE A 6 2.193 -11.246 -6.501 1.00 0.00 C ATOM 70 C ILE A 6 0.890 -11.849 -7.014 1.00 0.00 C ATOM 71 O ILE A 6 0.446 -12.894 -6.536 1.00 0.00 O ATOM 72 CB ILE A 6 1.886 -10.347 -5.288 1.00 0.00 C ATOM 73 CG1 ILE A 6 3.177 -9.736 -4.739 1.00 0.00 C ATOM 74 CG2 ILE A 6 1.168 -11.141 -4.208 1.00 0.00 C ATOM 75 CD1 ILE A 6 4.187 -10.767 -4.285 1.00 0.00 C ATOM 0 H ILE A 6 3.095 -9.538 -7.314 1.00 0.00 H new ATOM 0 HA ILE A 6 2.864 -12.047 -6.190 1.00 0.00 H new ATOM 0 HB ILE A 6 1.232 -9.537 -5.611 1.00 0.00 H new ATOM 0 HG12 ILE A 6 3.629 -9.110 -5.508 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.933 -9.084 -3.900 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.958 -10.492 -3.358 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.232 -11.532 -4.606 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.799 -11.969 -3.885 1.00 0.00 H new ATOM 0 HD11 ILE A 6 5.077 -10.263 -3.908 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.753 -11.378 -3.493 1.00 0.00 H new ATOM 0 HD13 ILE A 6 4.460 -11.404 -5.126 1.00 0.00 H new ATOM 87 N CYS A 7 0.282 -11.186 -7.992 1.00 0.00 N ATOM 88 CA CYS A 7 -0.970 -11.657 -8.572 1.00 0.00 C ATOM 89 C CYS A 7 -0.740 -12.897 -9.431 1.00 0.00 C ATOM 90 O CYS A 7 -1.579 -13.797 -9.478 1.00 0.00 O ATOM 91 CB CYS A 7 -1.613 -10.553 -9.414 1.00 0.00 C ATOM 92 SG CYS A 7 -1.680 -8.931 -8.587 1.00 0.00 S ATOM 0 H CYS A 7 0.636 -10.321 -8.400 1.00 0.00 H new ATOM 0 HA CYS A 7 -1.642 -11.922 -7.756 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -1.057 -10.451 -10.346 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.626 -10.856 -9.679 1.00 0.00 H new ATOM 97 N ARG A 8 0.403 -12.937 -10.108 1.00 0.00 N ATOM 98 CA ARG A 8 0.744 -14.066 -10.966 1.00 0.00 C ATOM 99 C ARG A 8 1.245 -15.246 -10.138 1.00 0.00 C ATOM 100 O ARG A 8 1.149 -16.398 -10.560 1.00 0.00 O ATOM 101 CB ARG A 8 1.809 -13.656 -11.985 1.00 0.00 C ATOM 102 CG ARG A 8 1.652 -14.334 -13.336 1.00 0.00 C ATOM 103 CD ARG A 8 2.996 -14.765 -13.902 1.00 0.00 C ATOM 104 NE ARG A 8 3.212 -14.250 -15.252 1.00 0.00 N ATOM 105 CZ ARG A 8 3.580 -13.001 -15.511 1.00 0.00 C ATOM 106 NH1 ARG A 8 3.773 -12.144 -14.518 1.00 0.00 N ATOM 107 NH2 ARG A 8 3.757 -12.607 -16.766 1.00 0.00 N ATOM 0 H ARG A 8 1.109 -12.201 -10.079 1.00 0.00 H new ATOM 0 HA ARG A 8 -0.158 -14.373 -11.496 1.00 0.00 H new ATOM 0 HB2 ARG A 8 1.770 -12.576 -12.124 1.00 0.00 H new ATOM 0 HB3 ARG A 8 2.794 -13.891 -11.582 1.00 0.00 H new ATOM 0 HG2 ARG A 8 1.003 -15.204 -13.235 1.00 0.00 H new ATOM 0 HG3 ARG A 8 1.165 -13.652 -14.032 1.00 0.00 H new ATOM 0 HD2 ARG A 8 3.794 -14.414 -13.248 1.00 0.00 H new ATOM 0 HD3 ARG A 8 3.051 -15.854 -13.916 1.00 0.00 H new ATOM 0 HE ARG A 8 3.072 -14.885 -16.038 1.00 0.00 H new ATOM 0 HH11 ARG A 8 3.639 -12.444 -13.552 1.00 0.00 H new ATOM 0 HH12 ARG A 8 4.056 -11.185 -14.720 1.00 0.00 H new ATOM 0 HH21 ARG A 8 3.610 -13.264 -17.532 1.00 0.00 H new ATOM 0 HH22 ARG A 8 4.040 -11.647 -16.964 1.00 0.00 H new ATOM 121 N ALA A 9 1.778 -14.950 -8.957 1.00 0.00 N ATOM 122 CA ALA A 9 2.291 -15.986 -8.069 1.00 0.00 C ATOM 123 C ALA A 9 1.152 -16.760 -7.413 1.00 0.00 C ATOM 124 O ALA A 9 1.285 -17.948 -7.120 1.00 0.00 O ATOM 125 CB ALA A 9 3.195 -15.373 -7.010 1.00 0.00 C ATOM 0 H ALA A 9 1.866 -14.001 -8.593 1.00 0.00 H new ATOM 0 HA ALA A 9 2.874 -16.687 -8.667 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.571 -16.158 -6.354 1.00 0.00 H new ATOM 0 HB2 ALA A 9 4.033 -14.872 -7.493 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.629 -14.650 -6.423 1.00 0.00 H new ATOM 131 N ARG A 10 0.034 -16.078 -7.185 1.00 0.00 N ATOM 132 CA ARG A 10 -1.126 -16.701 -6.560 1.00 0.00 C ATOM 133 C ARG A 10 -1.847 -17.617 -7.545 1.00 0.00 C ATOM 134 O ARG A 10 -2.434 -18.626 -7.154 1.00 0.00 O ATOM 135 CB ARG A 10 -2.090 -15.631 -6.043 1.00 0.00 C ATOM 136 CG ARG A 10 -3.246 -16.193 -5.233 1.00 0.00 C ATOM 137 CD ARG A 10 -2.942 -16.181 -3.744 1.00 0.00 C ATOM 138 NE ARG A 10 -3.955 -16.896 -2.972 1.00 0.00 N ATOM 139 CZ ARG A 10 -4.097 -18.216 -2.991 1.00 0.00 C ATOM 140 NH1 ARG A 10 -3.295 -18.962 -3.737 1.00 0.00 N ATOM 141 NH2 ARG A 10 -5.043 -18.793 -2.261 1.00 0.00 N ATOM 0 H ARG A 10 -0.093 -15.094 -7.424 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.776 -17.301 -5.720 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.536 -14.922 -5.427 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.489 -15.073 -6.890 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -4.145 -15.608 -5.426 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.454 -17.213 -5.554 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.966 -16.635 -3.570 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.881 -15.150 -3.395 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.588 -16.351 -2.386 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.566 -18.522 -4.299 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -3.407 -19.976 -3.749 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.662 -18.222 -1.685 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -5.151 -19.807 -2.276 1.00 0.00 H new ATOM 155 N MET A 11 -1.799 -17.258 -8.823 1.00 0.00 N ATOM 156 CA MET A 11 -2.446 -18.048 -9.864 1.00 0.00 C ATOM 157 C MET A 11 -1.411 -18.775 -10.717 1.00 0.00 C ATOM 158 O MET A 11 -0.206 -18.613 -10.522 1.00 0.00 O ATOM 159 CB MET A 11 -3.315 -17.153 -10.749 1.00 0.00 C ATOM 160 CG MET A 11 -2.516 -16.180 -11.600 1.00 0.00 C ATOM 161 SD MET A 11 -3.380 -14.621 -11.871 1.00 0.00 S ATOM 162 CE MET A 11 -4.930 -15.207 -12.552 1.00 0.00 C ATOM 0 H MET A 11 -1.319 -16.425 -9.163 1.00 0.00 H new ATOM 0 HA MET A 11 -3.079 -18.791 -9.380 1.00 0.00 H new ATOM 0 HB2 MET A 11 -3.921 -17.781 -11.402 1.00 0.00 H new ATOM 0 HB3 MET A 11 -4.003 -16.591 -10.118 1.00 0.00 H new ATOM 0 HG2 MET A 11 -1.560 -15.981 -11.116 1.00 0.00 H new ATOM 0 HG3 MET A 11 -2.297 -16.641 -12.563 1.00 0.00 H new ATOM 0 HE1 MET A 11 -5.639 -14.381 -12.607 1.00 0.00 H new ATOM 0 HE2 MET A 11 -4.760 -15.606 -13.552 1.00 0.00 H new ATOM 0 HE3 MET A 11 -5.335 -15.991 -11.912 1.00 0.00 H new ATOM 172 N THR A 12 -1.889 -19.578 -11.663 1.00 0.00 N ATOM 173 CA THR A 12 -1.005 -20.330 -12.545 1.00 0.00 C ATOM 174 C THR A 12 -0.645 -19.519 -13.784 1.00 0.00 C ATOM 175 O THR A 12 -1.150 -18.414 -13.984 1.00 0.00 O ATOM 176 CB THR A 12 -1.648 -21.659 -12.984 1.00 0.00 C ATOM 177 OG1 THR A 12 -3.033 -21.457 -13.286 1.00 0.00 O ATOM 178 CG2 THR A 12 -1.510 -22.712 -11.895 1.00 0.00 C ATOM 0 H THR A 12 -2.883 -19.724 -11.838 1.00 0.00 H new ATOM 0 HA THR A 12 -0.099 -20.543 -11.978 1.00 0.00 H new ATOM 0 HB THR A 12 -1.130 -22.011 -13.876 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.434 -22.306 -13.566 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.971 -23.642 -12.227 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.454 -22.885 -11.688 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.006 -22.365 -10.988 1.00 0.00 H new ATOM 186 N HIS A 13 0.231 -20.075 -14.616 1.00 0.00 N ATOM 187 CA HIS A 13 0.658 -19.403 -15.838 1.00 0.00 C ATOM 188 C HIS A 13 -0.500 -19.277 -16.822 1.00 0.00 C ATOM 189 O HIS A 13 -0.730 -18.212 -17.395 1.00 0.00 O ATOM 190 CB HIS A 13 1.814 -20.165 -16.486 1.00 0.00 C ATOM 191 CG HIS A 13 3.161 -19.761 -15.972 1.00 0.00 C ATOM 192 ND1 HIS A 13 3.888 -18.717 -16.504 1.00 0.00 N ATOM 193 CD2 HIS A 13 3.913 -20.266 -14.966 1.00 0.00 C ATOM 194 CE1 HIS A 13 5.030 -18.599 -15.849 1.00 0.00 C ATOM 195 NE2 HIS A 13 5.069 -19.527 -14.910 1.00 0.00 N ATOM 0 H HIS A 13 0.659 -20.989 -14.466 1.00 0.00 H new ATOM 0 HA HIS A 13 0.996 -18.401 -15.574 1.00 0.00 H new ATOM 0 HB2 HIS A 13 1.675 -21.233 -16.316 1.00 0.00 H new ATOM 0 HB3 HIS A 13 1.783 -20.007 -17.564 1.00 0.00 H new ATOM 0 HD2 HIS A 13 3.652 -21.096 -14.326 1.00 0.00 H new ATOM 0 HE1 HIS A 13 5.800 -17.868 -16.048 1.00 0.00 H new ATOM 0 HE2 HIS A 13 5.834 -19.671 -14.250 1.00 0.00 H new ATOM 203 N LYS A 14 -1.227 -20.373 -17.016 1.00 0.00 N ATOM 204 CA LYS A 14 -2.363 -20.386 -17.931 1.00 0.00 C ATOM 205 C LYS A 14 -3.447 -19.420 -17.466 1.00 0.00 C ATOM 206 O LYS A 14 -4.078 -18.744 -18.278 1.00 0.00 O ATOM 207 CB LYS A 14 -2.937 -21.800 -18.041 1.00 0.00 C ATOM 208 CG LYS A 14 -4.177 -21.886 -18.915 1.00 0.00 C ATOM 209 CD LYS A 14 -4.840 -23.249 -18.809 1.00 0.00 C ATOM 210 CE LYS A 14 -5.635 -23.384 -17.519 1.00 0.00 C ATOM 211 NZ LYS A 14 -6.061 -24.789 -17.275 1.00 0.00 N ATOM 0 H LYS A 14 -1.050 -21.264 -16.552 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.013 -20.065 -18.912 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.172 -22.464 -18.444 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.180 -22.163 -17.043 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.885 -21.112 -18.620 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.906 -21.692 -19.953 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -5.501 -23.400 -19.662 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.080 -24.029 -18.852 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.030 -23.037 -16.681 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.514 -22.741 -17.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -6.600 -24.839 -16.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.660 -25.112 -18.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.222 -25.399 -17.206 1.00 0.00 H new ATOM 225 N GLU A 15 -3.658 -19.360 -16.155 1.00 0.00 N ATOM 226 CA GLU A 15 -4.666 -18.474 -15.584 1.00 0.00 C ATOM 227 C GLU A 15 -4.361 -17.017 -15.916 1.00 0.00 C ATOM 228 O GLU A 15 -5.220 -16.289 -16.414 1.00 0.00 O ATOM 229 CB GLU A 15 -4.739 -18.659 -14.066 1.00 0.00 C ATOM 230 CG GLU A 15 -6.023 -18.132 -13.450 1.00 0.00 C ATOM 231 CD GLU A 15 -7.202 -19.059 -13.675 1.00 0.00 C ATOM 232 OE1 GLU A 15 -6.992 -20.161 -14.224 1.00 0.00 O ATOM 233 OE2 GLU A 15 -8.333 -18.684 -13.302 1.00 0.00 O ATOM 0 H GLU A 15 -3.145 -19.914 -15.469 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.630 -18.733 -16.021 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.643 -19.719 -13.833 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.891 -18.153 -13.606 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.876 -17.990 -12.379 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.249 -17.153 -13.873 1.00 0.00 H new ATOM 240 N PHE A 16 -3.132 -16.597 -15.636 1.00 0.00 N ATOM 241 CA PHE A 16 -2.712 -15.226 -15.903 1.00 0.00 C ATOM 242 C PHE A 16 -2.908 -14.875 -17.375 1.00 0.00 C ATOM 243 O PHE A 16 -3.233 -13.738 -17.714 1.00 0.00 O ATOM 244 CB PHE A 16 -1.245 -15.034 -15.512 1.00 0.00 C ATOM 245 CG PHE A 16 -0.682 -13.706 -15.931 1.00 0.00 C ATOM 246 CD1 PHE A 16 -1.045 -12.544 -15.269 1.00 0.00 C ATOM 247 CD2 PHE A 16 0.209 -13.619 -16.988 1.00 0.00 C ATOM 248 CE1 PHE A 16 -0.529 -11.321 -15.651 1.00 0.00 C ATOM 249 CE2 PHE A 16 0.729 -12.398 -17.375 1.00 0.00 C ATOM 250 CZ PHE A 16 0.359 -11.248 -16.707 1.00 0.00 C ATOM 0 H PHE A 16 -2.409 -17.187 -15.224 1.00 0.00 H new ATOM 0 HA PHE A 16 -3.331 -14.559 -15.303 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.149 -15.136 -14.431 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.650 -15.830 -15.961 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.740 -12.595 -14.444 1.00 0.00 H new ATOM 0 HD2 PHE A 16 0.501 -14.515 -17.516 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.819 -10.423 -15.125 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.424 -12.344 -18.200 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.763 -10.293 -17.009 1.00 0.00 H new ATOM 260 N ASN A 17 -2.707 -15.860 -18.244 1.00 0.00 N ATOM 261 CA ASN A 17 -2.861 -15.655 -19.680 1.00 0.00 C ATOM 262 C ASN A 17 -4.310 -15.331 -20.032 1.00 0.00 C ATOM 263 O ASN A 17 -4.581 -14.408 -20.799 1.00 0.00 O ATOM 264 CB ASN A 17 -2.405 -16.900 -20.445 1.00 0.00 C ATOM 265 CG ASN A 17 -2.738 -16.824 -21.923 1.00 0.00 C ATOM 266 OD1 ASN A 17 -1.967 -16.285 -22.717 1.00 0.00 O ATOM 267 ND2 ASN A 17 -3.891 -17.366 -22.297 1.00 0.00 N ATOM 0 H ASN A 17 -2.437 -16.807 -17.979 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.238 -14.809 -19.970 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.329 -17.024 -20.324 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.878 -17.782 -20.013 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.169 -17.346 -23.278 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -4.498 -17.802 -21.603 1.00 0.00 H new ATOM 274 N TYR A 18 -5.236 -16.096 -19.464 1.00 0.00 N ATOM 275 CA TYR A 18 -6.657 -15.892 -19.719 1.00 0.00 C ATOM 276 C TYR A 18 -7.109 -14.524 -19.218 1.00 0.00 C ATOM 277 O TYR A 18 -7.685 -13.734 -19.967 1.00 0.00 O ATOM 278 CB TYR A 18 -7.480 -16.991 -19.046 1.00 0.00 C ATOM 279 CG TYR A 18 -8.971 -16.742 -19.086 1.00 0.00 C ATOM 280 CD1 TYR A 18 -9.600 -16.009 -18.088 1.00 0.00 C ATOM 281 CD2 TYR A 18 -9.750 -17.240 -20.123 1.00 0.00 C ATOM 282 CE1 TYR A 18 -10.962 -15.779 -18.121 1.00 0.00 C ATOM 283 CE2 TYR A 18 -11.112 -17.015 -20.165 1.00 0.00 C ATOM 284 CZ TYR A 18 -11.714 -16.284 -19.162 1.00 0.00 C ATOM 285 OH TYR A 18 -13.070 -16.057 -19.199 1.00 0.00 O ATOM 0 H TYR A 18 -5.028 -16.863 -18.824 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.817 -15.936 -20.796 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -7.266 -17.943 -19.532 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -7.164 -17.086 -18.007 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -9.014 -15.612 -17.272 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -9.282 -17.813 -20.910 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -11.435 -15.207 -17.337 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -11.703 -17.409 -20.979 1.00 0.00 H new ATOM 0 HH TYR A 18 -13.265 -15.177 -18.815 1.00 0.00 H new ATOM 295 N LYS A 19 -6.842 -14.249 -17.946 1.00 0.00 N ATOM 296 CA LYS A 19 -7.219 -12.976 -17.342 1.00 0.00 C ATOM 297 C LYS A 19 -6.652 -11.806 -18.140 1.00 0.00 C ATOM 298 O LYS A 19 -7.374 -10.872 -18.488 1.00 0.00 O ATOM 299 CB LYS A 19 -6.725 -12.908 -15.896 1.00 0.00 C ATOM 300 CG LYS A 19 -7.382 -13.926 -14.980 1.00 0.00 C ATOM 301 CD LYS A 19 -8.887 -13.726 -14.913 1.00 0.00 C ATOM 302 CE LYS A 19 -9.515 -14.581 -13.823 1.00 0.00 C ATOM 303 NZ LYS A 19 -10.794 -14.000 -13.329 1.00 0.00 N ATOM 0 H LYS A 19 -6.366 -14.891 -17.313 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.307 -12.906 -17.351 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.646 -13.062 -15.882 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -6.909 -11.907 -15.505 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.163 -14.932 -15.337 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -6.958 -13.843 -13.979 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.107 -12.675 -14.725 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.332 -13.978 -15.876 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -9.697 -15.584 -14.208 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.817 -14.680 -12.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -11.216 -14.638 -12.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -10.609 -13.075 -12.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -11.452 -13.881 -14.126 1.00 0.00 H new ATOM 317 N SER A 20 -5.356 -11.866 -18.428 1.00 0.00 N ATOM 318 CA SER A 20 -4.692 -10.810 -19.184 1.00 0.00 C ATOM 319 C SER A 20 -5.335 -10.638 -20.557 1.00 0.00 C ATOM 320 O SER A 20 -5.509 -9.519 -21.036 1.00 0.00 O ATOM 321 CB SER A 20 -3.203 -11.126 -19.341 1.00 0.00 C ATOM 322 OG SER A 20 -2.987 -12.056 -20.388 1.00 0.00 O ATOM 0 H SER A 20 -4.745 -12.634 -18.150 1.00 0.00 H new ATOM 0 HA SER A 20 -4.802 -9.877 -18.632 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.653 -10.208 -19.547 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.813 -11.529 -18.406 1.00 0.00 H new ATOM 0 HG SER A 20 -3.575 -12.830 -20.264 1.00 0.00 H new ATOM 328 N ASN A 21 -5.684 -11.757 -21.184 1.00 0.00 N ATOM 329 CA ASN A 21 -6.307 -11.731 -22.502 1.00 0.00 C ATOM 330 C ASN A 21 -7.567 -10.870 -22.492 1.00 0.00 C ATOM 331 O ASN A 21 -7.749 -10.007 -23.351 1.00 0.00 O ATOM 332 CB ASN A 21 -6.650 -13.152 -22.955 1.00 0.00 C ATOM 333 CG ASN A 21 -7.132 -13.200 -24.392 1.00 0.00 C ATOM 334 OD1 ASN A 21 -6.336 -13.347 -25.320 1.00 0.00 O ATOM 335 ND2 ASN A 21 -8.440 -13.077 -24.582 1.00 0.00 N ATOM 0 H ASN A 21 -5.546 -12.692 -20.801 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.596 -11.295 -23.204 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.770 -13.787 -22.848 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.420 -13.563 -22.302 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -8.823 -13.103 -25.527 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -9.062 -12.957 -23.783 1.00 0.00 H new ATOM 342 N VAL A 22 -8.434 -11.111 -21.514 1.00 0.00 N ATOM 343 CA VAL A 22 -9.676 -10.358 -21.391 1.00 0.00 C ATOM 344 C VAL A 22 -9.406 -8.916 -20.973 1.00 0.00 C ATOM 345 O VAL A 22 -10.105 -7.995 -21.395 1.00 0.00 O ATOM 346 CB VAL A 22 -10.627 -11.007 -20.368 1.00 0.00 C ATOM 347 CG1 VAL A 22 -11.953 -10.264 -20.325 1.00 0.00 C ATOM 348 CG2 VAL A 22 -10.840 -12.477 -20.697 1.00 0.00 C ATOM 0 H VAL A 22 -8.299 -11.822 -20.795 1.00 0.00 H new ATOM 0 HA VAL A 22 -10.149 -10.366 -22.373 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.170 -10.942 -19.381 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -12.612 -10.737 -19.597 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -11.780 -9.227 -20.038 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -12.419 -10.295 -21.310 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -11.514 -12.920 -19.964 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.275 -12.568 -21.692 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -9.883 -12.998 -20.671 1.00 0.00 H new ATOM 358 N CYS A 23 -8.386 -8.728 -20.143 1.00 0.00 N ATOM 359 CA CYS A 23 -8.021 -7.399 -19.668 1.00 0.00 C ATOM 360 C CYS A 23 -7.805 -6.444 -20.839 1.00 0.00 C ATOM 361 O CYS A 23 -8.311 -5.323 -20.840 1.00 0.00 O ATOM 362 CB CYS A 23 -6.754 -7.470 -18.813 1.00 0.00 C ATOM 363 SG CYS A 23 -7.047 -7.986 -17.091 1.00 0.00 S ATOM 0 H CYS A 23 -7.797 -9.480 -19.785 1.00 0.00 H new ATOM 0 HA CYS A 23 -8.841 -7.020 -19.059 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -6.055 -8.167 -19.276 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -6.274 -6.491 -18.811 1.00 0.00 H new ATOM 368 N ASN A 24 -7.049 -6.897 -21.834 1.00 0.00 N ATOM 369 CA ASN A 24 -6.766 -6.084 -23.010 1.00 0.00 C ATOM 370 C ASN A 24 -8.047 -5.774 -23.779 1.00 0.00 C ATOM 371 O ASN A 24 -8.079 -4.875 -24.617 1.00 0.00 O ATOM 372 CB ASN A 24 -5.771 -6.801 -23.925 1.00 0.00 C ATOM 373 CG ASN A 24 -5.086 -5.853 -24.890 1.00 0.00 C ATOM 374 OD1 ASN A 24 -5.350 -5.877 -26.093 1.00 0.00 O ATOM 375 ND2 ASN A 24 -4.201 -5.013 -24.367 1.00 0.00 N ATOM 0 H ASN A 24 -6.622 -7.823 -21.849 1.00 0.00 H new ATOM 0 HA ASN A 24 -6.328 -5.144 -22.673 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -5.018 -7.302 -23.317 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -6.292 -7.575 -24.489 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.708 -4.352 -24.968 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.014 -5.028 -23.364 1.00 0.00 H new ATOM 382 N GLY A 25 -9.104 -6.527 -23.485 1.00 0.00 N ATOM 383 CA GLY A 25 -10.374 -6.316 -24.154 1.00 0.00 C ATOM 384 C GLY A 25 -11.248 -5.307 -23.435 1.00 0.00 C ATOM 385 O GLY A 25 -12.004 -4.568 -24.066 1.00 0.00 O ATOM 0 H GLY A 25 -9.102 -7.279 -22.796 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -10.192 -5.974 -25.173 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -10.905 -7.265 -24.227 1.00 0.00 H new ATOM 389 N CYS A 26 -11.146 -5.276 -22.111 1.00 0.00 N ATOM 390 CA CYS A 26 -11.933 -4.351 -21.304 1.00 0.00 C ATOM 391 C CYS A 26 -11.823 -2.928 -21.845 1.00 0.00 C ATOM 392 O CYS A 26 -12.752 -2.131 -21.718 1.00 0.00 O ATOM 393 CB CYS A 26 -11.470 -4.392 -19.847 1.00 0.00 C ATOM 394 SG CYS A 26 -12.238 -3.124 -18.787 1.00 0.00 S ATOM 0 H CYS A 26 -10.526 -5.881 -21.573 1.00 0.00 H new ATOM 0 HA CYS A 26 -12.977 -4.660 -21.355 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -11.690 -5.377 -19.435 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -10.387 -4.268 -19.817 1.00 0.00 H new ATOM 399 N GLY A 27 -10.680 -2.617 -22.449 1.00 0.00 N ATOM 400 CA GLY A 27 -10.469 -1.291 -22.999 1.00 0.00 C ATOM 401 C GLY A 27 -9.099 -0.736 -22.665 1.00 0.00 C ATOM 402 O GLY A 27 -8.107 -1.465 -22.674 1.00 0.00 O ATOM 0 H GLY A 27 -9.897 -3.260 -22.567 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.589 -1.327 -24.082 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.234 -0.616 -22.616 1.00 0.00 H new ATOM 406 N ASP A 28 -9.042 0.559 -22.373 1.00 0.00 N ATOM 407 CA ASP A 28 -7.782 1.211 -22.033 1.00 0.00 C ATOM 408 C ASP A 28 -7.584 1.256 -20.522 1.00 0.00 C ATOM 409 O ASP A 28 -6.856 2.105 -20.007 1.00 0.00 O ATOM 410 CB ASP A 28 -7.747 2.628 -22.607 1.00 0.00 C ATOM 411 CG ASP A 28 -7.454 2.644 -24.095 1.00 0.00 C ATOM 412 OD1 ASP A 28 -7.780 1.648 -24.774 1.00 0.00 O ATOM 413 OD2 ASP A 28 -6.896 3.651 -24.580 1.00 0.00 O ATOM 0 H ASP A 28 -9.853 1.178 -22.365 1.00 0.00 H new ATOM 0 HA ASP A 28 -6.970 0.630 -22.470 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -8.705 3.115 -22.423 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.988 3.210 -22.084 1.00 0.00 H new ATOM 418 N GLN A 29 -8.236 0.337 -19.816 1.00 0.00 N ATOM 419 CA GLN A 29 -8.131 0.274 -18.363 1.00 0.00 C ATOM 420 C GLN A 29 -7.346 -0.959 -17.927 1.00 0.00 C ATOM 421 O GLN A 29 -7.546 -1.478 -16.829 1.00 0.00 O ATOM 422 CB GLN A 29 -9.524 0.257 -17.731 1.00 0.00 C ATOM 423 CG GLN A 29 -9.756 1.384 -16.738 1.00 0.00 C ATOM 424 CD GLN A 29 -9.590 2.755 -17.363 1.00 0.00 C ATOM 425 OE1 GLN A 29 -8.471 3.237 -17.542 1.00 0.00 O ATOM 426 NE2 GLN A 29 -10.706 3.392 -17.698 1.00 0.00 N ATOM 0 H GLN A 29 -8.842 -0.373 -20.227 1.00 0.00 H new ATOM 0 HA GLN A 29 -7.596 1.161 -18.023 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -10.273 0.320 -18.521 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -9.673 -0.697 -17.226 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.760 1.297 -16.323 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -9.058 1.281 -15.907 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -11.612 2.955 -17.532 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.657 4.318 -18.122 1.00 0.00 H new ATOM 435 N VAL A 30 -6.452 -1.422 -18.795 1.00 0.00 N ATOM 436 CA VAL A 30 -5.635 -2.593 -18.499 1.00 0.00 C ATOM 437 C VAL A 30 -4.988 -2.478 -17.123 1.00 0.00 C ATOM 438 O VAL A 30 -5.051 -3.405 -16.317 1.00 0.00 O ATOM 439 CB VAL A 30 -4.535 -2.792 -19.558 1.00 0.00 C ATOM 440 CG1 VAL A 30 -3.655 -3.980 -19.197 1.00 0.00 C ATOM 441 CG2 VAL A 30 -5.149 -2.972 -20.937 1.00 0.00 C ATOM 0 H VAL A 30 -6.275 -1.004 -19.709 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.301 -3.456 -18.512 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.909 -1.900 -19.579 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.883 -4.105 -19.957 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.186 -3.804 -18.229 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.264 -4.882 -19.147 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.357 -3.111 -21.673 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.800 -3.847 -20.934 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.731 -2.087 -21.194 1.00 0.00 H new ATOM 451 N ALA A 31 -4.366 -1.333 -16.862 1.00 0.00 N ATOM 452 CA ALA A 31 -3.708 -1.095 -15.584 1.00 0.00 C ATOM 453 C ALA A 31 -4.649 -1.385 -14.420 1.00 0.00 C ATOM 454 O ALA A 31 -4.271 -2.046 -13.453 1.00 0.00 O ATOM 455 CB ALA A 31 -3.199 0.337 -15.510 1.00 0.00 C ATOM 0 H ALA A 31 -4.304 -0.555 -17.519 1.00 0.00 H new ATOM 0 HA ALA A 31 -2.859 -1.774 -15.509 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.710 0.500 -14.550 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.485 0.512 -16.315 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.037 1.027 -15.612 1.00 0.00 H new ATOM 461 N ALA A 32 -5.877 -0.885 -14.519 1.00 0.00 N ATOM 462 CA ALA A 32 -6.872 -1.090 -13.475 1.00 0.00 C ATOM 463 C ALA A 32 -7.286 -2.555 -13.391 1.00 0.00 C ATOM 464 O ALA A 32 -7.562 -3.073 -12.309 1.00 0.00 O ATOM 465 CB ALA A 32 -8.088 -0.209 -13.723 1.00 0.00 C ATOM 0 H ALA A 32 -6.206 -0.335 -15.313 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.424 -0.811 -12.521 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -8.823 -0.373 -12.935 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.785 0.838 -13.724 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -8.529 -0.460 -14.688 1.00 0.00 H new ATOM 471 N CYS A 33 -7.329 -3.219 -14.542 1.00 0.00 N ATOM 472 CA CYS A 33 -7.711 -4.625 -14.600 1.00 0.00 C ATOM 473 C CYS A 33 -6.784 -5.477 -13.738 1.00 0.00 C ATOM 474 O CYS A 33 -7.231 -6.386 -13.039 1.00 0.00 O ATOM 475 CB CYS A 33 -7.682 -5.124 -16.046 1.00 0.00 C ATOM 476 SG CYS A 33 -8.399 -6.783 -16.275 1.00 0.00 S ATOM 0 H CYS A 33 -7.104 -2.806 -15.447 1.00 0.00 H new ATOM 0 HA CYS A 33 -8.725 -4.716 -14.211 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -8.223 -4.416 -16.674 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -6.649 -5.135 -16.395 1.00 0.00 H new ATOM 481 N GLU A 34 -5.491 -5.175 -13.793 1.00 0.00 N ATOM 482 CA GLU A 34 -4.501 -5.913 -13.017 1.00 0.00 C ATOM 483 C GLU A 34 -4.208 -5.208 -11.696 1.00 0.00 C ATOM 484 O GLU A 34 -3.520 -5.749 -10.831 1.00 0.00 O ATOM 485 CB GLU A 34 -3.208 -6.073 -13.820 1.00 0.00 C ATOM 486 CG GLU A 34 -3.435 -6.483 -15.265 1.00 0.00 C ATOM 487 CD GLU A 34 -2.475 -7.564 -15.723 1.00 0.00 C ATOM 488 OE1 GLU A 34 -1.382 -7.675 -15.131 1.00 0.00 O ATOM 489 OE2 GLU A 34 -2.817 -8.298 -16.674 1.00 0.00 O ATOM 0 H GLU A 34 -5.104 -4.425 -14.366 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.910 -6.900 -12.799 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.659 -5.131 -13.800 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.579 -6.819 -13.334 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.459 -6.839 -15.381 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.326 -5.610 -15.908 1.00 0.00 H new ATOM 496 N ALA A 35 -4.735 -3.996 -11.549 1.00 0.00 N ATOM 497 CA ALA A 35 -4.532 -3.217 -10.334 1.00 0.00 C ATOM 498 C ALA A 35 -4.864 -4.040 -9.093 1.00 0.00 C ATOM 499 O ALA A 35 -4.095 -4.066 -8.133 1.00 0.00 O ATOM 500 CB ALA A 35 -5.376 -1.952 -10.372 1.00 0.00 C ATOM 0 H ALA A 35 -5.306 -3.533 -12.257 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.480 -2.937 -10.282 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.215 -1.380 -9.459 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.089 -1.349 -11.234 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.430 -2.220 -10.451 1.00 0.00 H new ATOM 506 N GLU A 36 -6.012 -4.708 -9.121 1.00 0.00 N ATOM 507 CA GLU A 36 -6.445 -5.530 -7.997 1.00 0.00 C ATOM 508 C GLU A 36 -6.330 -7.015 -8.332 1.00 0.00 C ATOM 509 O GLU A 36 -7.099 -7.837 -7.834 1.00 0.00 O ATOM 510 CB GLU A 36 -7.887 -5.193 -7.615 1.00 0.00 C ATOM 511 CG GLU A 36 -8.157 -3.701 -7.513 1.00 0.00 C ATOM 512 CD GLU A 36 -7.412 -3.050 -6.364 1.00 0.00 C ATOM 513 OE1 GLU A 36 -7.431 -3.615 -5.250 1.00 0.00 O ATOM 514 OE2 GLU A 36 -6.810 -1.978 -6.578 1.00 0.00 O ATOM 0 H GLU A 36 -6.659 -4.696 -9.909 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.793 -5.314 -7.151 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.560 -5.626 -8.355 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.120 -5.662 -6.659 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.869 -3.219 -8.447 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -9.227 -3.537 -7.386 1.00 0.00 H new ATOM 521 N CYS A 37 -5.363 -7.350 -9.180 1.00 0.00 N ATOM 522 CA CYS A 37 -5.146 -8.734 -9.584 1.00 0.00 C ATOM 523 C CYS A 37 -6.406 -9.322 -10.213 1.00 0.00 C ATOM 524 O CYS A 37 -6.861 -10.399 -9.829 1.00 0.00 O ATOM 525 CB CYS A 37 -4.723 -9.578 -8.380 1.00 0.00 C ATOM 526 SG CYS A 37 -3.338 -8.875 -7.428 1.00 0.00 S ATOM 0 H CYS A 37 -4.717 -6.682 -9.601 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.349 -8.748 -10.328 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -5.580 -9.701 -7.717 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.443 -10.573 -8.727 1.00 0.00 H new ATOM 531 N PHE A 38 -6.966 -8.605 -11.182 1.00 0.00 N ATOM 532 CA PHE A 38 -8.175 -9.053 -11.864 1.00 0.00 C ATOM 533 C PHE A 38 -9.350 -9.128 -10.893 1.00 0.00 C ATOM 534 O PHE A 38 -10.348 -9.798 -11.161 1.00 0.00 O ATOM 535 CB PHE A 38 -7.945 -10.421 -12.510 1.00 0.00 C ATOM 536 CG PHE A 38 -6.647 -10.518 -13.260 1.00 0.00 C ATOM 537 CD1 PHE A 38 -6.264 -9.518 -14.139 1.00 0.00 C ATOM 538 CD2 PHE A 38 -5.812 -11.610 -13.088 1.00 0.00 C ATOM 539 CE1 PHE A 38 -5.070 -9.605 -14.832 1.00 0.00 C ATOM 540 CE2 PHE A 38 -4.618 -11.702 -13.777 1.00 0.00 C ATOM 541 CZ PHE A 38 -4.247 -10.698 -14.651 1.00 0.00 C ATOM 0 H PHE A 38 -6.602 -7.711 -11.513 1.00 0.00 H new ATOM 0 HA PHE A 38 -8.414 -8.327 -12.642 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -7.966 -11.188 -11.736 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -8.767 -10.634 -13.193 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -6.905 -8.661 -14.285 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -6.098 -12.398 -12.407 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.782 -8.819 -15.514 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.975 -12.558 -13.633 1.00 0.00 H new ATOM 0 HZ PHE A 38 -3.315 -10.769 -15.191 1.00 0.00 H new ATOM 551 N ARG A 39 -9.224 -8.436 -9.766 1.00 0.00 N ATOM 552 CA ARG A 39 -10.274 -8.425 -8.754 1.00 0.00 C ATOM 553 C ARG A 39 -10.792 -7.008 -8.524 1.00 0.00 C ATOM 554 O ARG A 39 -10.522 -6.398 -7.491 1.00 0.00 O ATOM 555 CB ARG A 39 -9.752 -9.008 -7.440 1.00 0.00 C ATOM 556 CG ARG A 39 -8.904 -10.256 -7.621 1.00 0.00 C ATOM 557 CD ARG A 39 -9.213 -11.299 -6.558 1.00 0.00 C ATOM 558 NE ARG A 39 -8.096 -12.217 -6.351 1.00 0.00 N ATOM 559 CZ ARG A 39 -7.846 -13.259 -7.136 1.00 0.00 C ATOM 560 NH1 ARG A 39 -8.630 -13.514 -8.174 1.00 0.00 N ATOM 561 NH2 ARG A 39 -6.810 -14.049 -6.882 1.00 0.00 N ATOM 0 H ARG A 39 -8.405 -7.875 -9.530 1.00 0.00 H new ATOM 0 HA ARG A 39 -11.098 -9.041 -9.115 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -9.162 -8.250 -6.925 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.599 -9.245 -6.796 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.083 -10.679 -8.610 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.848 -9.990 -7.575 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -9.451 -10.800 -5.619 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -10.097 -11.865 -6.851 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.474 -12.049 -5.560 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -9.427 -12.909 -8.372 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -8.436 -14.315 -8.775 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.205 -13.856 -6.084 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -6.619 -14.849 -7.485 1.00 0.00 H new ATOM 575 N ASN A 40 -11.537 -6.491 -9.496 1.00 0.00 N ATOM 576 CA ASN A 40 -12.092 -5.146 -9.400 1.00 0.00 C ATOM 577 C ASN A 40 -13.356 -5.018 -10.245 1.00 0.00 C ATOM 578 O ASN A 40 -13.694 -5.916 -11.015 1.00 0.00 O ATOM 579 CB ASN A 40 -11.058 -4.112 -9.850 1.00 0.00 C ATOM 580 CG ASN A 40 -10.390 -4.492 -11.157 1.00 0.00 C ATOM 581 OD1 ASN A 40 -10.991 -4.387 -12.227 1.00 0.00 O ATOM 582 ND2 ASN A 40 -9.142 -4.938 -11.077 1.00 0.00 N ATOM 0 H ASN A 40 -11.770 -6.983 -10.359 1.00 0.00 H new ATOM 0 HA ASN A 40 -12.352 -4.960 -8.358 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -11.543 -3.142 -9.962 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -10.299 -4.001 -9.076 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -8.642 -5.210 -11.924 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -8.683 -5.009 -10.169 1.00 0.00 H new ATOM 589 N ASP A 41 -14.050 -3.895 -10.094 1.00 0.00 N ATOM 590 CA ASP A 41 -15.276 -3.648 -10.844 1.00 0.00 C ATOM 591 C ASP A 41 -14.976 -3.439 -12.325 1.00 0.00 C ATOM 592 O ASP A 41 -15.757 -3.836 -13.189 1.00 0.00 O ATOM 593 CB ASP A 41 -16.005 -2.426 -10.281 1.00 0.00 C ATOM 594 CG ASP A 41 -17.513 -2.570 -10.348 1.00 0.00 C ATOM 595 OD1 ASP A 41 -18.005 -3.712 -10.234 1.00 0.00 O ATOM 596 OD2 ASP A 41 -18.201 -1.541 -10.515 1.00 0.00 O ATOM 0 H ASP A 41 -13.785 -3.142 -9.459 1.00 0.00 H new ATOM 0 HA ASP A 41 -15.917 -4.524 -10.743 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -15.703 -2.272 -9.245 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -15.703 -1.538 -10.836 1.00 0.00 H new ATOM 601 N VAL A 42 -13.839 -2.812 -12.610 1.00 0.00 N ATOM 602 CA VAL A 42 -13.435 -2.550 -13.986 1.00 0.00 C ATOM 603 C VAL A 42 -13.414 -3.835 -14.807 1.00 0.00 C ATOM 604 O VAL A 42 -13.985 -3.897 -15.897 1.00 0.00 O ATOM 605 CB VAL A 42 -12.044 -1.892 -14.047 1.00 0.00 C ATOM 606 CG1 VAL A 42 -11.525 -1.872 -15.477 1.00 0.00 C ATOM 607 CG2 VAL A 42 -12.094 -0.486 -13.470 1.00 0.00 C ATOM 0 H VAL A 42 -13.182 -2.476 -11.906 1.00 0.00 H new ATOM 0 HA VAL A 42 -14.171 -1.865 -14.407 1.00 0.00 H new ATOM 0 HB VAL A 42 -11.355 -2.483 -13.444 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -10.541 -1.403 -15.500 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -11.450 -2.893 -15.851 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -12.212 -1.305 -16.105 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -11.102 -0.036 -13.521 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -12.797 0.118 -14.044 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -12.419 -0.531 -12.431 1.00 0.00 H new ATOM 617 N TYR A 43 -12.754 -4.858 -14.277 1.00 0.00 N ATOM 618 CA TYR A 43 -12.657 -6.142 -14.961 1.00 0.00 C ATOM 619 C TYR A 43 -13.963 -6.922 -14.843 1.00 0.00 C ATOM 620 O TYR A 43 -14.442 -7.507 -15.815 1.00 0.00 O ATOM 621 CB TYR A 43 -11.504 -6.965 -14.385 1.00 0.00 C ATOM 622 CG TYR A 43 -11.403 -8.357 -14.968 1.00 0.00 C ATOM 623 CD1 TYR A 43 -11.272 -8.550 -16.337 1.00 0.00 C ATOM 624 CD2 TYR A 43 -11.437 -9.478 -14.148 1.00 0.00 C ATOM 625 CE1 TYR A 43 -11.180 -9.819 -16.874 1.00 0.00 C ATOM 626 CE2 TYR A 43 -11.344 -10.752 -14.676 1.00 0.00 C ATOM 627 CZ TYR A 43 -11.216 -10.917 -16.040 1.00 0.00 C ATOM 628 OH TYR A 43 -11.123 -12.183 -16.570 1.00 0.00 O ATOM 0 H TYR A 43 -12.278 -4.823 -13.376 1.00 0.00 H new ATOM 0 HA TYR A 43 -12.464 -5.949 -16.016 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -10.567 -6.437 -14.563 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -11.627 -7.041 -13.305 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -11.242 -7.693 -16.993 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -11.538 -9.352 -13.080 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -11.080 -9.951 -17.941 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -11.371 -11.613 -14.025 1.00 0.00 H new ATOM 0 HH TYR A 43 -10.587 -12.156 -17.390 1.00 0.00 H new ATOM 638 N THR A 44 -14.535 -6.927 -13.643 1.00 0.00 N ATOM 639 CA THR A 44 -15.785 -7.635 -13.395 1.00 0.00 C ATOM 640 C THR A 44 -16.886 -7.152 -14.332 1.00 0.00 C ATOM 641 O THR A 44 -17.755 -7.926 -14.734 1.00 0.00 O ATOM 642 CB THR A 44 -16.251 -7.457 -11.938 1.00 0.00 C ATOM 643 OG1 THR A 44 -15.268 -7.984 -11.040 1.00 0.00 O ATOM 644 CG2 THR A 44 -17.582 -8.157 -11.707 1.00 0.00 C ATOM 0 H THR A 44 -14.152 -6.449 -12.827 1.00 0.00 H new ATOM 0 HA THR A 44 -15.592 -8.692 -13.581 1.00 0.00 H new ATOM 0 HB THR A 44 -16.380 -6.391 -11.749 1.00 0.00 H new ATOM 0 HG1 THR A 44 -14.474 -7.409 -11.050 1.00 0.00 H new ATOM 0 HG21 THR A 44 -17.891 -8.018 -10.671 1.00 0.00 H new ATOM 0 HG22 THR A 44 -18.336 -7.734 -12.371 1.00 0.00 H new ATOM 0 HG23 THR A 44 -17.474 -9.222 -11.913 1.00 0.00 H new ATOM 652 N ALA A 45 -16.843 -5.869 -14.676 1.00 0.00 N ATOM 653 CA ALA A 45 -17.837 -5.284 -15.568 1.00 0.00 C ATOM 654 C ALA A 45 -17.550 -5.646 -17.021 1.00 0.00 C ATOM 655 O ALA A 45 -18.429 -6.128 -17.736 1.00 0.00 O ATOM 656 CB ALA A 45 -17.876 -3.773 -15.395 1.00 0.00 C ATOM 0 H ALA A 45 -16.131 -5.215 -14.351 1.00 0.00 H new ATOM 0 HA ALA A 45 -18.812 -5.694 -15.305 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -18.622 -3.349 -16.067 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -18.136 -3.531 -14.365 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -16.897 -3.355 -15.630 1.00 0.00 H new ATOM 662 N CYS A 46 -16.316 -5.409 -17.453 1.00 0.00 N ATOM 663 CA CYS A 46 -15.914 -5.708 -18.822 1.00 0.00 C ATOM 664 C CYS A 46 -16.063 -7.197 -19.120 1.00 0.00 C ATOM 665 O CYS A 46 -16.722 -7.585 -20.086 1.00 0.00 O ATOM 666 CB CYS A 46 -14.466 -5.272 -19.057 1.00 0.00 C ATOM 667 SG CYS A 46 -14.205 -3.472 -18.953 1.00 0.00 S ATOM 0 H CYS A 46 -15.577 -5.010 -16.874 1.00 0.00 H new ATOM 0 HA CYS A 46 -16.568 -5.154 -19.495 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -13.826 -5.764 -18.324 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -14.149 -5.618 -20.041 1.00 0.00 H new ATOM 672 N HIS A 47 -15.448 -8.027 -18.284 1.00 0.00 N ATOM 673 CA HIS A 47 -15.513 -9.474 -18.457 1.00 0.00 C ATOM 674 C HIS A 47 -16.959 -9.939 -18.598 1.00 0.00 C ATOM 675 O HIS A 47 -17.273 -10.766 -19.453 1.00 0.00 O ATOM 676 CB HIS A 47 -14.850 -10.180 -17.274 1.00 0.00 C ATOM 677 CG HIS A 47 -14.665 -11.652 -17.483 1.00 0.00 C ATOM 678 ND1 HIS A 47 -14.628 -12.560 -16.446 1.00 0.00 N ATOM 679 CD2 HIS A 47 -14.506 -12.372 -18.618 1.00 0.00 C ATOM 680 CE1 HIS A 47 -14.453 -13.775 -16.935 1.00 0.00 C ATOM 681 NE2 HIS A 47 -14.377 -13.688 -18.250 1.00 0.00 N ATOM 0 H HIS A 47 -14.899 -7.723 -17.480 1.00 0.00 H new ATOM 0 HA HIS A 47 -14.977 -9.731 -19.370 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -13.878 -9.723 -17.087 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -15.455 -10.021 -16.381 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -14.721 -12.330 -15.457 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -14.485 -11.983 -19.625 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -14.384 -14.685 -16.357 1.00 0.00 H new ATOM 689 N GLU A 48 -17.834 -9.403 -17.753 1.00 0.00 N ATOM 690 CA GLU A 48 -19.246 -9.766 -17.784 1.00 0.00 C ATOM 691 C GLU A 48 -19.929 -9.189 -19.020 1.00 0.00 C ATOM 692 O GLU A 48 -20.896 -9.755 -19.529 1.00 0.00 O ATOM 693 CB GLU A 48 -19.950 -9.269 -16.520 1.00 0.00 C ATOM 694 CG GLU A 48 -19.625 -10.086 -15.281 1.00 0.00 C ATOM 695 CD GLU A 48 -20.259 -9.520 -14.025 1.00 0.00 C ATOM 696 OE1 GLU A 48 -20.565 -8.309 -14.010 1.00 0.00 O ATOM 697 OE2 GLU A 48 -20.448 -10.286 -13.058 1.00 0.00 O ATOM 0 H GLU A 48 -17.590 -8.716 -17.039 1.00 0.00 H new ATOM 0 HA GLU A 48 -19.315 -10.853 -17.827 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -19.671 -8.230 -16.343 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -21.027 -9.286 -16.684 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -19.967 -11.111 -15.426 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -18.544 -10.127 -15.151 1.00 0.00 H new ATOM 704 N ALA A 49 -19.419 -8.058 -19.497 1.00 0.00 N ATOM 705 CA ALA A 49 -19.979 -7.404 -20.674 1.00 0.00 C ATOM 706 C ALA A 49 -19.756 -8.244 -21.927 1.00 0.00 C ATOM 707 O ALA A 49 -20.563 -8.216 -22.855 1.00 0.00 O ATOM 708 CB ALA A 49 -19.371 -6.020 -20.848 1.00 0.00 C ATOM 0 H ALA A 49 -18.619 -7.576 -19.087 1.00 0.00 H new ATOM 0 HA ALA A 49 -21.054 -7.300 -20.525 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -19.798 -5.543 -21.730 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -19.587 -5.414 -19.968 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -18.292 -6.110 -20.971 1.00 0.00 H new ATOM 714 N GLN A 50 -18.655 -8.989 -21.946 1.00 0.00 N ATOM 715 CA GLN A 50 -18.326 -9.836 -23.086 1.00 0.00 C ATOM 716 C GLN A 50 -17.930 -11.235 -22.629 1.00 0.00 C ATOM 717 O GLN A 50 -16.908 -11.418 -21.966 1.00 0.00 O ATOM 718 CB GLN A 50 -17.192 -9.212 -23.901 1.00 0.00 C ATOM 719 CG GLN A 50 -16.859 -9.982 -25.169 1.00 0.00 C ATOM 720 CD GLN A 50 -15.516 -9.590 -25.754 1.00 0.00 C ATOM 721 OE1 GLN A 50 -14.493 -9.626 -25.070 1.00 0.00 O ATOM 722 NE2 GLN A 50 -15.513 -9.211 -27.027 1.00 0.00 N ATOM 0 H GLN A 50 -17.976 -9.023 -21.185 1.00 0.00 H new ATOM 0 HA GLN A 50 -19.213 -9.917 -23.714 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -17.466 -8.191 -24.167 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -16.299 -9.150 -23.278 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -16.858 -11.050 -24.951 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -17.639 -9.808 -25.911 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -16.385 -9.196 -27.557 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -14.639 -8.935 -27.475 1.00 0.00 H new ATOM 731 N LYS A 51 -18.744 -12.222 -22.986 1.00 0.00 N ATOM 732 CA LYS A 51 -18.480 -13.607 -22.613 1.00 0.00 C ATOM 733 C LYS A 51 -17.498 -14.254 -23.585 1.00 0.00 C ATOM 734 O LYS A 51 -17.634 -15.428 -23.929 1.00 0.00 O ATOM 735 CB LYS A 51 -19.784 -14.406 -22.580 1.00 0.00 C ATOM 736 CG LYS A 51 -20.788 -13.891 -21.563 1.00 0.00 C ATOM 737 CD LYS A 51 -22.057 -14.726 -21.561 1.00 0.00 C ATOM 738 CE LYS A 51 -23.178 -14.035 -20.800 1.00 0.00 C ATOM 739 NZ LYS A 51 -23.678 -12.832 -21.521 1.00 0.00 N ATOM 0 H LYS A 51 -19.594 -12.088 -23.534 1.00 0.00 H new ATOM 0 HA LYS A 51 -18.035 -13.611 -21.618 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -20.239 -14.384 -23.570 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.556 -15.448 -22.357 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -20.340 -13.905 -20.569 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -21.035 -12.853 -21.787 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -22.373 -14.912 -22.587 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -21.854 -15.697 -21.109 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -24.000 -14.735 -20.648 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -22.821 -13.744 -19.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -24.598 -12.548 -21.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -22.998 -12.053 -21.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -23.788 -13.053 -22.531 1.00 0.00 H new TER 753 LYS A 51